5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane

C12H23N — CID 161441332

IUPAC5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane
SMILESCC.CC1=C(C)N(C(C)C)CC=C1
InChIInChI=1S/C10H17N.C2H6/c1-8(2)11-7-5-6-9(3)10(11)4;1-2/h5-6,8H,7H2,1-4H3;1-2H3
InChIKeyVZHRRUWMVAVWTM-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.59
Rot. Bonds1

About 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane

5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane (PubChem CID 161441332) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane.

Molecular Properties

Compound Name5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane
PubChem CID161441332
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane
SMILESCC.CC1=C(C)N(C(C)C)CC=C1
InChIInChI=1S/C10H17N.C2H6/c1-8(2)11-7-5-6-9(3)10(11)4;1-2/h5-6,8H,7H2,1-4H3;1-2H3
InChIKeyVZHRRUWMVAVWTM-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane?
The IUPAC name of 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane (CID 161441332) is 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane.
What is the SMILES notation for 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane?
The canonical SMILES for 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane is CC.CC1=C(C)N(C(C)C)CC=C1.
What is the InChIKey of 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane?
The InChIKey is VZHRRUWMVAVWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.C2H6/c1-8(2)11-7-5-6-9(3)10(11)4;1-2/h5-6,8H,7H2,1-4H3;1-2H3.
What are the key properties of 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane?
5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane has a molecular weight of 181.32 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-propan-2-yl-2H-pyridine;ethane is sourced from PubChem (CID 161441332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).